CID 211405

23043-24-5

Structural Information

Molecular Formula

C₁₃H₂₂N₂O

SMILES

CCN(CC)CCOCC1=CC=C(C=C1)N

InChI

InChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-11-12-5-7-13(14)8-6-12/h5-8H,3-4,9-11,14H2,1-2H3

InChIKey

UQCUSDDPQHJLKH-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethoxymethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.17322 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.18050	154.0
[M+Na]+	245.16244	159.0
[M-H]-	221.16594	157.9
[M+NH4]+	240.20704	172.3
[M+K]+	261.13638	157.5
[M+H-H2O]+	205.17048	146.6
[M+HCOO]-	267.17142	179.3
[M+CH3COO]-	281.18707	199.2
[M+Na-2H]-	243.14789	158.0
[M]+	222.17267	155.9
[M]-	222.17377	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe